methyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(4-bromophenyl)sulfonyl-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-bromophenyl)sulfonyl-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-bromophenyl)sulfonyl-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-(4-brosyl-3-methyl-piperazine-1-carbonyl)-6-isopropyl-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C27H29BrN4O5S MolecularWeight: 601.51196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC

InChI

InChI=1S/C27H29BrN4O5S/c1-17(2)23-22(27(34)37-4)24(30-25(29-23)19-8-6-5-7-9-19)26(33)31-14-15-32(18(3)16-31)38(35,36)21-12-10-20(28)11-13-21/h5-13,17-18H,14-16H2,1-4H3